2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole

C16H9F3N4S — CID 121378781

IUPAC2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccn(-c2ccc3nc(-c4cccnc4)sc3c2)n1
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)14-5-7-23(22-14)11-3-4-12-13(8-11)24-15(21-12)10-2-1-6-20-9-10/h1-9H
InChIKeyYFJWMLAGUZCCRI-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.56
Rot. Bonds2

About 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole

2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole (PubChem CID 121378781) has the molecular formula C16H9F3N4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole
PubChem CID121378781
Molecular FormulaC16H9F3N4S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccn(-c2ccc3nc(-c4cccnc4)sc3c2)n1
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)14-5-7-23(22-14)11-3-4-12-13(8-11)24-15(21-12)10-2-1-6-20-9-10/h1-9H
InChIKeyYFJWMLAGUZCCRI-UHFFFAOYSA-N
XLogP4.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Pyridyl)benzothiazole
CID 235922
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
US8754233, 4-Benzothiazol-2-yl-5-pyridin-4-yl-2H-pyrazol-3-ylamine
CID 66768288
US20230339900, Example 118
CID 162760816
2-[1-(1,3-Benzothiazol-2-yl)-2-pyridin-3-ylethenyl]-1,3-benzothiazole
CID 4081224
2-[1-(1,3-Benzothiazol-2-yl)-2-pyridin-4-ylethenyl]-1,3-benzothiazole
CID 4094223
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
2-[[6-(4-Fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155388660
2-[[6-(2,4-Difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155388716
4-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 155388940
2-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155389050

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole (CID 121378781) is 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole is FC(F)(F)c1ccn(-c2ccc3nc(-c4cccnc4)sc3c2)n1.
What is the InChIKey of 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole?
The InChIKey is YFJWMLAGUZCCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4S/c17-16(18,19)14-5-7-23(22-14)11-3-4-12-13(8-11)24-15(21-12)10-2-1-6-20-9-10/h1-9H.
What are the key properties of 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole?
2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole has a molecular weight of 346.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 121378781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).